1-(4-methoxyphenyl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine

C14H24N2O — CID 55016192

IUPAC1-(4-methoxyphenyl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
SMILESCOc1ccc(C(C(C)N)N(C)C(C)C)cc1
InChIInChI=1S/C14H24N2O/c1-10(2)16(4)14(11(3)15)12-6-8-13(17-5)9-7-12/h6-11,14H,15H2,1-5H3
InChIKeyJNXSEVOZKOBORH-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.42
Rot. Bonds5

About 1-(4-methoxyphenyl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine

1-(4-methoxyphenyl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine (PubChem CID 55016192) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
PubChem CID55016192
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(4-methoxyphenyl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
SMILESCOc1ccc(C(C(C)N)N(C)C(C)C)cc1
InChIInChI=1S/C14H24N2O/c1-10(2)16(4)14(11(3)15)12-6-8-13(17-5)9-7-12/h6-11,14H,15H2,1-5H3
InChIKeyJNXSEVOZKOBORH-UHFFFAOYSA-N
XLogP2.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 55016241
1-N-butan-2-yl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine
CID 55016003
3-(4-methoxyphenyl)butan-2-amine
CID 54524041
3-[[2-amino-1-(4-methoxyphenyl)propyl]-methylamino]-2-methylpropanenitrile
CID 55016148
3-(4-methoxyphenyl)butan-2-amine;hydrochloride
CID 170910507
2-[[2-amino-1-(4-methoxyphenyl)propyl]-methylamino]-N-methylacetamide
CID 55016193
1-(4-methoxyphenyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 16781513
2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]propan-1-ol
CID 104551290
1-(4-methoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 16782629
2-[dimethylamino-(4-methoxyphenyl)methyl]-3-methylbutan-1-ol
CID 116913421
1-[fluoro-(4-methoxyphenyl)methyl]-4-methoxybenzene
CID 15206991
O-[1-(4-methoxyphenyl)ethyl]hydroxylamine
CID 55269080

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of 1-(4-methoxyphenyl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine (CID 55016192) is 1-(4-methoxyphenyl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for 1-(4-methoxyphenyl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine is COc1ccc(C(C(C)N)N(C)C(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is JNXSEVOZKOBORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(2)16(4)14(11(3)15)12-6-8-13(17-5)9-7-12/h6-11,14H,15H2,1-5H3.
What are the key properties of 1-(4-methoxyphenyl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine?
1-(4-methoxyphenyl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 55016192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).